Geometry & MOs

Info

ID:	146561
PubChem CID:	53705569
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	8.17
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-[(propoxyamino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)N)C(=O)C2(CN=NN2CC3=CC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations